8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one

C14H19N3O4S — CID 110630401

IUPAC8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2c(NS(=O)(=O)NC3CCCC3)cccc21
InChIInChI=1S/C14H19N3O4S/c1-17-12-8-4-7-11(14(12)21-9-13(17)18)16-22(19,20)15-10-5-2-3-6-10/h4,7-8,10,15-16H,2-3,5-6,9H2,1H3
InChIKeyZGGRAMDEOSYGJW-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.23
Rot. Bonds4

About 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one

8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 110630401) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
PubChem CID110630401
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2c(NS(=O)(=O)NC3CCCC3)cccc21
InChIInChI=1S/C14H19N3O4S/c1-17-12-8-4-7-11(14(12)21-9-13(17)18)16-22(19,20)15-10-5-2-3-6-10/h4,7-8,10,15-16H,2-3,5-6,9H2,1H3
InChIKeyZGGRAMDEOSYGJW-UHFFFAOYSA-N
XLogP1.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one (CID 110630401) is 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2c(NS(=O)(=O)NC3CCCC3)cccc21.
What is the InChIKey of 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is ZGGRAMDEOSYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-17-12-8-4-7-11(14(12)21-9-13(17)18)16-22(19,20)15-10-5-2-3-6-10/h4,7-8,10,15-16H,2-3,5-6,9H2,1H3.
What are the key properties of 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 325.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 110630401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).